Geometry & MOs

Info

ID:	60553
PubChem CID:	26697183
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	451.156577
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	4.12
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-(4-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

DOS

IR

Vibrations